![2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid structure](/static/products/1694/16942-89-5.webp)
2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid
TL;DR: 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid (CAS 16942-89-5) is a chemical compound with molecular formula C15H13NO5S2 and molecular weight 351.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
Also Known As: BAS 00564853, 2-(5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)pentanedioic acid, 2-[5-BENZYLIDENE-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]PENTANEDIOIC ACID, 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid, (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid
| Molecular Formula | C15H13NO5S2 |
|---|---|
| Molecular Weight | 351.02 g/mol |
| LogP | 2.2058 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.02353 |
| Heavy Atoms | 23 |
| Complexity | 686.3675 |
Chemical Identifiers
| CAS Number | 16942-89-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O |
Product Overview
2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid (CAS 16942-89-5), with molecular formula C15H13NO5S2 and molecular weight 351.02 g/mol. IUPAC: 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid.
Chemical Property Profile of 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid
Property Insights of 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid
The XLogP value of 2.2058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid. Following Lipinski's Rule of Five, 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid?
The CAS number of 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid is 16942-89-5.
What is the molecular formula of 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid?
The molecular formula of 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid is C15H13NO5S2.
What is the molecular weight of 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid?
The molecular weight of 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid is 351.02 g/mol.
Where can I buy 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid?
You can request a quote for 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-YL]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.